[dichloro-[(1S,2S)-2-chlorocyclohexyl]-λ4-selanyl]benzene

C12H15Cl3Se — CID 86287464

IUPAC[dichloro-[(1S,2S)-2-chlorocyclohexyl]-λ4-selanyl]benzene
SMILESCl[C@H]1CCCC[C@@H]1[Se](Cl)(Cl)c1ccccc1
InChIInChI=1S/C12H15Cl3Se/c13-11-8-4-5-9-12(11)16(14,15)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2/t11-,12-/m0/s1
InChIKeyWUSKQAKILARALY-RYUDHWBXSA-N
MW344.57 g/mol
LogP4.36
Rot. Bonds2

About [dichloro-[(1S,2S)-2-chlorocyclohexyl]-λ4-selanyl]benzene

[dichloro-[(1S,2S)-2-chlorocyclohexyl]-λ4-selanyl]benzene (PubChem CID 86287464) has the molecular formula C12H15Cl3Se and a molecular weight of 344.57 g/mol. Its IUPAC name is [dichloro-[(1S,2S)-2-chlorocyclohexyl]-λ4-selanyl]benzene.

Molecular Properties

Compound Name[dichloro-[(1S,2S)-2-chlorocyclohexyl]-λ4-selanyl]benzene
PubChem CID86287464
Molecular FormulaC12H15Cl3Se
Molecular Weight344.57 g/mol
Exact Mass343.94
IUPAC Name[dichloro-[(1S,2S)-2-chlorocyclohexyl]-λ4-selanyl]benzene
SMILESCl[C@H]1CCCC[C@@H]1[Se](Cl)(Cl)c1ccccc1
InChIInChI=1S/C12H15Cl3Se/c13-11-8-4-5-9-12(11)16(14,15)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2/t11-,12-/m0/s1
InChIKeyWUSKQAKILARALY-RYUDHWBXSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [dichloro-[(1S,2S)-2-chlorocyclohexyl]-λ4-selanyl]benzene?
The IUPAC name of [dichloro-[(1S,2S)-2-chlorocyclohexyl]-λ4-selanyl]benzene (CID 86287464) is [dichloro-[(1S,2S)-2-chlorocyclohexyl]-λ4-selanyl]benzene.
What is the SMILES notation for [dichloro-[(1S,2S)-2-chlorocyclohexyl]-λ4-selanyl]benzene?
The canonical SMILES for [dichloro-[(1S,2S)-2-chlorocyclohexyl]-λ4-selanyl]benzene is Cl[C@H]1CCCC[C@@H]1[Se](Cl)(Cl)c1ccccc1.
What is the InChIKey of [dichloro-[(1S,2S)-2-chlorocyclohexyl]-λ4-selanyl]benzene?
The InChIKey is WUSKQAKILARALY-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H15Cl3Se/c13-11-8-4-5-9-12(11)16(14,15)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2/t11-,12-/m0/s1.
What are the key properties of [dichloro-[(1S,2S)-2-chlorocyclohexyl]-λ4-selanyl]benzene?
[dichloro-[(1S,2S)-2-chlorocyclohexyl]-λ4-selanyl]benzene has a molecular weight of 344.57 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [dichloro-[(1S,2S)-2-chlorocyclohexyl]-λ4-selanyl]benzene is sourced from PubChem (CID 86287464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).